7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl 4-methylbenzoate
Chemical Structure Depiction of
7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl 4-methylbenzoate
7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl 4-methylbenzoate
Compound characteristics
| Compound ID: | Y040-3958 |
| Compound Name: | 7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl 4-methylbenzoate |
| Molecular Weight: | 334.37 |
| Molecular Formula: | C21 H18 O4 |
| Smiles: | Cc1ccc(cc1)C(=O)Oc1cc(C)cc2c1C1CCCC=1C(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 4.6465 |
| logD: | 4.6465 |
| logSw: | -4.6522 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.911 |
| InChI Key: | OZEVALLIDNHQSQ-UHFFFAOYSA-N |